SCHEMBL8815091

SCHEMBL8815091

O=C(O)CC[C@H](NC(=O)Nc1ccc(N(CCCl)CCCl)c(F)c1)C(=O)O.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.46
FOLH1 Q04609 14/20 0.45
FPR2 P25090 1/20 0.44
EPHX2 P34913 1/20 0.41
GAA P10253 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7902175 0.93 FOLH1 (0.48) NAALAD2FOLH1GAA
SCHEMBL4460828 0.93 FOLH1 (0.48) NAALAD2FOLH1GAA
SCHEMBL8723910 0.85 KMT2A (0.42) FOLH1FPR2
SCHEMBL8722915 0.83 FOLH1 (0.48) NAALAD2FOLH1FPR2GAA
SCHEMBL7894806 0.82 FOLH1 (0.49) NAALAD2FOLH1FPR2GAA
SCHEMBL7906574 0.82 FOLH1 (0.49) NAALAD2FOLH1FPR2GAA
SCHEMBL7900456 0.81 FOLH1 (0.48) NAALAD2FOLH1FPR2GAA
SCHEMBL8812711 0.81 CCKBR (0.51) FPR2EPHX2
SCHEMBL8815104 0.81 CCKBR (0.51) FPR2EPHX2
SCHEMBL4458797 0.78 FOLH1 (0.58) NAALAD2FOLH1FPR2GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5660829-A DEESTERIFYING COMPOUND TO FORM N-(4(N,N-BIS(2-CHLOROETHYL) AMINO)PHENOXYCARBONYL)-L-GLUTAMIC ACID-GAMMA-(3,5-DICARBOXY)ANILIDE ZENECA LIMITED (GB) 1997-08-26 US disclosed
US-5405990-A For use in antibody directed enzyme prodrug therapy; cytotoxic parent nitrogen mustard; antitumor agents ZENECA LIMITED (GB) 1995-04-11 US disclosed